tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane

C27H34O3Si — CID 88618126

IUPACtert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
SMILESCC(C)(OO)c1ccc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H34O3Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)29-21-20-22-16-18-23(19-17-22)27(4,5)30-28/h6-19,28H,20-21H2,1-5H3
InChIKeyZLLZZPRWCGXVDW-UHFFFAOYSA-N
MW434.65 g/mol
LogP5.53
Rot. Bonds8

About tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane

tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane (PubChem CID 88618126) has the molecular formula C27H34O3Si and a molecular weight of 434.65 g/mol. Its IUPAC name is tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
PubChem CID88618126
Molecular FormulaC27H34O3Si
Molecular Weight434.65 g/mol
Exact Mass434.23
IUPAC Nametert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
SMILESCC(C)(OO)c1ccc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H34O3Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)29-21-20-22-16-18-23(19-17-22)27(4,5)30-28/h6-19,28H,20-21H2,1-5H3
InChIKeyZLLZZPRWCGXVDW-UHFFFAOYSA-N
XLogP5.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.65
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridine-2-carbonitrile
CID 123541169
tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
CID 10811915
2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
CID 22345545
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane (CID 88618126) is tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane is CC(C)(OO)c1ccc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane?
The InChIKey is ZLLZZPRWCGXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O3Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)29-21-20-22-16-18-23(19-17-22)27(4,5)30-28/h6-19,28H,20-21H2,1-5H3.
What are the key properties of tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane?
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane has a molecular weight of 434.65 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane is sourced from PubChem (CID 88618126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).